sodium;azane;dimethyl hydrogen phosphate;hydride

C2H11NNaO4P — CID 175474279

IUPACsodium;azane;dimethyl hydrogen phosphate;hydride
SMILESCOP(=O)(O)OC.N.[H-].[Na+]
InChIInChI=1S/C2H7O4P.H3N.Na.H/c1-5-7(3,4)6-2;;;/h1-2H3,(H,3,4);1H3;;/q;;+1;-1
InChIKeyQCSAXGGEYXPDEF-UHFFFAOYSA-N
MW167.08 g/mol
LogP-2.34
Rot. Bonds2

About sodium;azane;dimethyl hydrogen phosphate;hydride

sodium;azane;dimethyl hydrogen phosphate;hydride (PubChem CID 175474279) has the molecular formula C2H11NNaO4P and a molecular weight of 167.08 g/mol. Its IUPAC name is sodium;azane;dimethyl hydrogen phosphate;hydride.

Molecular Properties

Compound Namesodium;azane;dimethyl hydrogen phosphate;hydride
PubChem CID175474279
Molecular FormulaC2H11NNaO4P
Molecular Weight167.08 g/mol
Exact Mass167.03
IUPAC Namesodium;azane;dimethyl hydrogen phosphate;hydride
SMILESCOP(=O)(O)OC.N.[H-].[Na+]
InChIInChI=1S/C2H7O4P.H3N.Na.H/c1-5-7(3,4)6-2;;;/h1-2H3,(H,3,4);1H3;;/q;;+1;-1
InChIKeyQCSAXGGEYXPDEF-UHFFFAOYSA-N
XLogP-2.34
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
tripotassium;amino methyl hydrogen phosphate;azane;hydride
CID 174615874
azane;methyl phosphono hydrogen phosphate
CID 175124465
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148
fluoro methyl hydrogen phosphate
CID 87128109
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
dimethyl hydrogen phosphate;pyridine
CID 174868032
carbanylium;methyl dihydrogen phosphate
CID 165007935

Frequently Asked Questions

What is the IUPAC name of sodium;azane;dimethyl hydrogen phosphate;hydride?
The IUPAC name of sodium;azane;dimethyl hydrogen phosphate;hydride (CID 175474279) is sodium;azane;dimethyl hydrogen phosphate;hydride.
What is the SMILES notation for sodium;azane;dimethyl hydrogen phosphate;hydride?
The canonical SMILES for sodium;azane;dimethyl hydrogen phosphate;hydride is COP(=O)(O)OC.N.[H-].[Na+].
What is the InChIKey of sodium;azane;dimethyl hydrogen phosphate;hydride?
The InChIKey is QCSAXGGEYXPDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P.H3N.Na.H/c1-5-7(3,4)6-2;;;/h1-2H3,(H,3,4);1H3;;/q;;+1;-1.
What are the key properties of sodium;azane;dimethyl hydrogen phosphate;hydride?
sodium;azane;dimethyl hydrogen phosphate;hydride has a molecular weight of 167.08 g/mol, XLogP of -2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;dimethyl hydrogen phosphate;hydride is sourced from PubChem (CID 175474279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).